tclforces included in the NAMD-FEP \delta_G values?

From: Sebastian Stolzenberg (s.stolzenberg_at_gmail.com)
Date: Thu Mar 19 2009 - 13:11:10 CDT

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Thank you everybody who responded to my last threads,

I do an ion->water FEP-transformation with the distance between the
particular ion and the water oxygen to be harmonically restrained to
zero Angstrom via tclforces.

The tclforces that are calculated&added at each step for this restraint,
do they show up in form of a "tclHamiltonian" that is added to the FEP
calculations (I hope not)?

Cheers,
Sebastian

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